SCHEMBL29183400

SCHEMBL29183400

C[C@@H](Cc1ccnc(Br)c1)[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ LOX P28300 1/20 0.30
▸ LOXL2 Q9Y4K0 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29183405 1.00 AR (0.33) ARPARP1LOXLOXL2
SCHEMBL17000172 0.79 GABRA1 (0.40) ARPARP1LOXLOXL2
SCHEMBL31658872 0.77 APLNR (0.34) ARPARP1LOXLOXL2
SCHEMBL5146976 0.76 NR3C2 (0.35) ARPARP1LOXLOXL2
SCHEMBL30741537 0.76 NR3C2 (0.35) ARPARP1LOXLOXL2
SCHEMBL15911399 0.76 PNMT (0.46) —
SCHEMBL31440248 0.73 PARP1 (0.36) ARPARP1LOXLOXL2
SCHEMBL14706743 0.73 AR (0.42) ARPARP1LOXLOXL2
SCHEMBL29183418 0.73 AR (0.36) ARPARP1LOXLOXL2
SCHEMBL29183404 0.71 AR (0.32) ARPARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659020-A Imidazo [1,2-b ] pyridazine derivative, and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-03-08 — — CN disclosed
CN-117659043-A Macrocyclic imidazo [1,2-b ] pyridazine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-03-08 — — CN disclosed
Send feedback